propyl 4-[2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCCC

InChI

InChI=1S/C17H23N5O3S/c1-3-5-14-20-21-17(22(14)18)26-11-15(23)19-13-8-6-12(7-9-13)16(24)25-10-4-2/h6-9H,3-5,10-11,18H2,1-2H3,(H,19,23)